Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 11/20 | 0.71 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.55 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL7210760 | 1.00 | PTGS2 (0.71) | PTGS2PTGS1ALOX5 | |
| SCHEMBL5314094 | 0.88 | PTGS2 (0.69) | PTGS2PTGS1 | |
| SCHEMBL7216191 | 0.88 | PTGS2 (0.69) | PTGS2PTGS1 | |
| SCHEMBL5312538 | 0.84 | PTGS2 (0.76) | PTGS2PTGS1ALOX5 | |
| SCHEMBL5311655 | 0.84 | PTGS2 (0.76) | PTGS2PTGS1ALOX5 | |
| SCHEMBL5312009 | 0.84 | PTGS2 (0.76) | PTGS2PTGS1ALOX5 | |
| SCHEMBL5310941 | 0.83 | PTGS2 (0.74) | PTGS2PTGS1 | |
| SCHEMBL5309608 | 0.83 | PTGS2 (1.00) | PTGS2PTGS1 | |
| SCHEMBL5309601 | 0.83 | PTGS2 (0.74) | PTGS2PTGS1 | |
| SCHEMBL5314063 | 0.83 | PTGS2 (1.00) | PTGS2PTGS1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1369415-A1 | Substituted pyrrolyl compounds for the treatment of inflammation | G.D. SEARLE & CO. (US) | 2003-12-10 | — | — | EP | disclosed |
| US-5935990-A | PYRROLYL DERIVATIVES HAVING AT POSITION 1 OR 5 A PHENYL SUBSTITUTED WITH METHYLSULFONYL OR AMINOSULFONYL; INHIBIT CYCLOOXYGENASE-2 FOR USE TREATMENT OF INFLAMMATION, AS AN ANALGESIC, OR AS AN ANTIPYRETIC | G.D. SEARLE & CO. (US) | 1999-08-10 | — | — | US | disclosed |